6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile

C11H6Br2N2O2 — CID 103414597

IUPAC6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1c(Br)cc(Br)c2[nH]cc(C#N)c(=O)c12
InChIInChI=1S/C11H6Br2N2O2/c1-17-11-7(13)2-6(12)9-8(11)10(16)5(3-14)4-15-9/h2,4H,1H3,(H,15,16)
InChIKeyZVYRHNAUCQHYOI-UHFFFAOYSA-N
MW357.99 g/mol
LogP2.93
Rot. Bonds1

About 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile

6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 103414597) has the molecular formula C11H6Br2N2O2 and a molecular weight of 357.99 g/mol. Its IUPAC name is 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID103414597
Molecular FormulaC11H6Br2N2O2
Molecular Weight357.99 g/mol
Exact Mass355.88
IUPAC Name6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1c(Br)cc(Br)c2[nH]cc(C#N)c(=O)c12
InChIInChI=1S/C11H6Br2N2O2/c1-17-11-7(13)2-6(12)9-8(11)10(16)5(3-14)4-15-9/h2,4H,1H3,(H,15,16)
InChIKeyZVYRHNAUCQHYOI-UHFFFAOYSA-N
XLogP2.93
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.99
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
CID 61474799
5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 22466603
5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile
CID 18738657
5-acetyl-3-bromo-2-methoxybenzonitrile
CID 171005539
7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 69372063
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carbonitrile
CID 24707150
5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 22953001
5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10641823
5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde
CID 163323842
6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
CID 103416536
5-bromo-7-fluoro-1H-indole-3-carbonitrile
CID 67356040
7-bromo-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
CID 141215557

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile (CID 103414597) is 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile is COc1c(Br)cc(Br)c2[nH]cc(C#N)c(=O)c12.
What is the InChIKey of 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is ZVYRHNAUCQHYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O2/c1-17-11-7(13)2-6(12)9-8(11)10(16)5(3-14)4-15-9/h2,4H,1H3,(H,15,16).
What are the key properties of 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile?
6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 357.99 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 103414597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).